4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide

C24H20F2N4O3 — CID 68905538

IUPAC4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1-c1ccc(OC)nc1
InChIInChI=1S/C24H20F2N4O3/c1-3-33-21-10-20-16(9-15(21)13-4-7-22(32-2)29-11-13)23(17(12-28-20)24(27)31)30-19-6-5-14(25)8-18(19)26/h4-12H,3H2,1-2H3,(H2,27,31)(H,28,30)
InChIKeyKCBBXNSQVJLMHN-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.82
Rot. Bonds7

About 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide

4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide (PubChem CID 68905538) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
PubChem CID68905538
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1-c1ccc(OC)nc1
InChIInChI=1S/C24H20F2N4O3/c1-3-33-21-10-20-16(9-15(21)13-4-7-22(32-2)29-11-13)23(17(12-28-20)24(27)31)30-19-6-5-14(25)8-18(19)26/h4-12H,3H2,1-2H3,(H2,27,31)(H,28,30)
InChIKeyKCBBXNSQVJLMHN-UHFFFAOYSA-N
XLogP4.82
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide (CID 68905538) is 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1-c1ccc(OC)nc1.
What is the InChIKey of 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
The InChIKey is KCBBXNSQVJLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-3-33-21-10-20-16(9-15(21)13-4-7-22(32-2)29-11-13)23(17(12-28-20)24(27)31)30-19-6-5-14(25)8-18(19)26/h4-12H,3H2,1-2H3,(H2,27,31)(H,28,30).
What are the key properties of 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide?
4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-7-ethoxy-6-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide is sourced from PubChem (CID 68905538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).